2-Bromo-6-hydroxybenzonitrile - ≥98% , CAS No.73289-85-7

CAS: 73289-85-7 Cat. No.: B186310 Formule: C₇H₄BrNO Poids moléculaire: 198.02 Numéro CE: 962-772-3

GRADE & PURITY ≥98%

Synonyms

2-Bromo-6-hydroxy benzonitrile | SCHEMBL5875840 | FT-0745610 | 2-Bromo-6-hydroxybenzonitrle | AKOS016007965 | MFCD12828440 | MB12048 | SY061030 | 2-Bromo-6-hydroxybenzonitrile | 2-Bromo-6-hydroxy-benzonitrile | DTXSID90619564 | EN300-131419 | PS-5193 | 3-

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

2-Bromo-6-hydroxy benzonitrile | SCHEMBL5875840 | FT-0745610 | 2-Bromo-6-hydroxybenzonitrle | AKOS016007965 | MFCD12828440 | MB12048 | SY061030 | 2-Bromo-6-hydroxybenzonitrile | 2-Bromo-6-hydroxy-benzonitrile | DTXSID90619564 | EN300-131419 | PS-5193 | 3-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1=CC(=C(C(=C1)Br)C#N)O
• IUPAC Name: 2-bromo-6-hydroxybenzonitrile
• InChIKey: YCJPUFJBGIVSTM-UHFFFAOYSA-N
• INCHI: 1S/C7H4BrNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H
• Isomères SMILES: C1=CC(=C(C(=C1)Br)C#N)O
• Poids moléculaire: 198.02
• Reaxy-Rn: 6191873
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6191873&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: M-bromophenols Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Nitriles Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - 3-halophenol - 3-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Poids moléculaire: 198.020 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 196.948 Da
• Monoisotopic Mass: 196.948 Da
• Topological Polar Surface Area: 44.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1